CID 27374

Mannitol, 1,6-diamino-, d-, dihydrochloride

Structural Information

Molecular Formula
C6H16N2O4
SMILES
C(C(C(C(C(CN)O)O)O)O)N
InChI
InChI=1S/C6H16N2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2,7-8H2
InChIKey
XDPGXUIEXVDTAK-UHFFFAOYSA-N
Compound name
1,6-diaminohexane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

180.11101 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.11829 142.0
[M+Na]+ 203.10023 144.6
[M-H]- 179.10373 135.5
[M+NH4]+ 198.14483 157.5
[M+K]+ 219.07417 144.3
[M+H-H2O]+ 163.10827 136.5
[M+HCOO]- 225.10921 157.4
[M+CH3COO]- 239.12486 178.5
[M+Na-2H]- 201.08568 139.8
[M]+ 180.11046 135.0
[M]- 180.11156 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe